2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C18H28N5O+ MolecularWeight: 330.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CC[NH+](CC2CCO)CC3=NNC(=C3)C

Isomeric SMILES

CC1=NC(=CC=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=NNC(=C3)C

InChI

InChI=1S/C18H27N5O/c1-14-4-3-5-16(19-14)12-23-8-7-22(13-18(23)6-9-24)11-17-10-15(2)20-21-17/h3-5,10,18,24H,6-9,11-13H2,1-2H3,(H,20,21)/p+1/t18-/m0/s1